<HTML>
<HEAD>
   <META HTTP-EQUIV="Content-Type" CONTENT="text/html; charset=iso-8859-1">
   <META NAME="GENERATOR" CONTENT="Mozilla/4.04 [en] (X11; I; IRIX 6.3 IP32) [Netscape]">
   <TITLE>Submitting</TITLE>
<LINK REV=MADE HREF="mailto:jurgenfd@gmail.com">
</HEAD>
<BODY BGCOLOR="#FFFFFF">

<IMG ALIGN="RIGHT" SRC="./img/aq2x.gif">
<H1><A HREF=".">Aqua server</A></H1>
<H2><A HREF="./aq2x.html">
Conversion of AQUA distance restraints</A></H2>
<BR><BR>


<HR><FORM METHOD="POST"
ACTION="CGI_LOC/Aqua/aq2x.pl" 
ENCTYPE="multipart/form-data">

<P>You need to supply both an AQUA restraints file 
and a simple PDB coordinates file.
You can checking the box of the desired output format.
</P>

<P><B>AQUA formatted distance restraint file:</B></P>
<P><INPUT TYPE="file" NAME="RST_FILE" VALUE="" SIZE=50 ></P>

<P><B>PDB coordinate file:</B></P>

<P><INPUT TYPE="file" NAME="PDB_FILE" VALUE="" SIZE=50 ></P>
Only the first structure of the file is processed, and only the
    residue names and residue numbers are actually used.
<P>

<B>Output format</B>  is the name of the restraint output format. Currently the
program recognizes one of the following format names:

<P>
<INPUT TYPE="radio" NAME="Output_format" VALUE="aqua"   CHECKED     > AQUA
<INPUT TYPE="radio" NAME="Output_format" VALUE="xplor"       > CNS or XPLOR
<INPUT TYPE="radio" NAME="Output_format" VALUE="diana"       > DYANA, DIANA or DISMAN
<INPUT TYPE="radio" NAME="Output_format" VALUE="biosym"      > MSI or BIOSYM
<INPUT TYPE="radio" NAME="Output_format" VALUE="nmrstar"     > NMRSTAR
</P>

<P>
The option below applies only to output in AQUA or NMR-STAR
file formats, and is ignored otherwise. It specifies that the atom names 
should be converted to a particular name format.
Normally, atom names in AQUA and NMR-STAR files are
in "aqua" format, <I>i.e.</I> conform to the IUPAC standard.
We strongly recommend to use this standard, <I>i.e.</I> 
do not check another box, as much as possible.
</P>

<P>
<INPUT TYPE="radio" NAME="Name_format" VALUE="aqua"   CHECKED     > AQUA
<INPUT TYPE="radio" NAME="Name_format" VALUE="disgeo"      > DISGEO
<INPUT TYPE="radio" NAME="Name_format" VALUE="disman"      > DISMAN
<INPUT TYPE="radio" NAME="Name_format" VALUE="xplor"       > XPLOR
<INPUT TYPE="radio" NAME="Name_format" VALUE="diana"       > DIANA
<INPUT TYPE="radio" NAME="Name_format" VALUE="biosym"      > BIOSYM
</P>

<P><B>OPTIONS:</B>
<TABLE BORDER CELLSPACING=0 CELLPADDING=10 >
<TR>
<TD>
<DL>
<DT> <A HREF="../html/terseness.html">Terseness</A> of the output (0[most verbose] through 9[default]):</DT>
<DD>
<INPUT TEXT NAME="Terseness" VALUE="9" size=2></DD>
</TR>
</TABLE>


<P><INPUT 
TYPE="submit" 
NAME="SUBMIT"
VALUE="Start uploading the Query!"></FORM>

<HR>
<P>Please get a copy of 
<A HREF="http://www.bmrb.wisc.edu/~jurgen/aqua">AQUA</A>
if you are unable to provide any of these three types formats of restraint files.
This server is based on the script aq2x (part of AQUA) which is described 
<A HREF="../doc/aq2x.txt">
here</A>.
</P>
<HR>

<P>Contact the 
<A HREF="mailto:jurgenfd@gmail.com">author</A> or 
<A HREF="mailto:WEBMASTER">webmaster</A>
for help, when required.
</BODY>
</HTML>
